CID 13483763

5-amino-1-methyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C6H7N5O
SMILES
CN1C2=C(C=N1)C(=O)N(C=N2)N
InChI
InChI=1S/C6H7N5O/c1-10-5-4(2-9-10)6(12)11(7)3-8-5/h2-3H,7H2,1H3
InChIKey
TVKDNILWGVYQAU-UHFFFAOYSA-N
Compound name
5-amino-1-methylpyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 131.2
[M+Na]+ 188.05428 144.7
[M-H]- 164.05778 131.7
[M+NH4]+ 183.09888 149.6
[M+K]+ 204.02822 141.3
[M+H-H2O]+ 148.06232 123.3
[M+HCOO]- 210.06326 154.3
[M+CH3COO]- 224.07891 145.5
[M+Na-2H]- 186.03973 139.6
[M]+ 165.06451 133.3
[M]- 165.06561 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.